(4-nitrophenyl) 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (4-nitrophenyl) 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (4-nitrophenyl) 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-nitrophenyl) ester Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S2/c18-15(21-14-7-5-13(6-8-14)17(19)20)11-1-3-12(4-2-11)16-22-9-10-23-16/h1-8,16H,9-10H2